UCSF

ZINC21638140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.30 8.43 -89.1 2 7 2 58 334.468 3
Mid Mid (pH 6-8) 0.30 6.17 -42.25 1 7 1 57 333.46 3
Mid Mid (pH 6-8) 0.30 5.97 -45.28 1 7 1 57 333.46 3
Mid Mid (pH 6-8) 0.30 3.7 -7.11 0 7 0 56 332.452 3

Activity (Go SEA)

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