UCSF

ZINC45655761

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
Ref Reference (pH 7) 1.18 4.98 -113.87 4 4 2 50 243.395 7
Hi High (pH 8-9.5) 1.18 1.37 -7.01 2 4 0 44 241.379 7
Mid Mid (pH 6-8) 1.18 3.77 -36.14 3 4 1 46 242.387 7
Lo Low (pH 4.5-6) 1.18 2.59 -43.73 3 4 1 49 242.387 7

Activity (Go SEA)

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