UCSF

ZINC45658422

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Hi High (pH 8-9.5) 1.80 3.42 -43.03 3 3 1 34 242.431 7
Hi High (pH 8-9.5) 1.80 4.93 -29.71 3 3 1 34 242.431 7
Mid Mid (pH 6-8) 1.80 6.13 -95.79 4 3 2 35 243.439 7
Mid Mid (pH 6-8) 1.80 4.66 -118.69 4 3 2 35 243.439 7
Mid Mid (pH 6-8) 1.80 4.93 -27.35 3 3 1 34 242.431 7
Lo Low (pH 4.5-6) 1.80 4.92 -101.56 4 3 2 35 243.439 7
Lo Low (pH 4.5-6) 1.80 6.73 -216.02 5 3 3 37 244.447 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )