UCSF

ZINC45653512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.86 9.85 -111.13 3 2 2 21 327.31 5
Hi High (pH 8-9.5) 3.86 6.48 -2.04 1 2 0 15 325.294 5
Mid Mid (pH 6-8) 3.86 8.88 -31.02 2 2 1 16 326.302 5
Lo Low (pH 4.5-6) 3.86 7.47 -38.83 2 2 1 20 326.302 5

Activity (Go SEA)

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