UCSF

ZINC45622689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.82 0.58 -10.91 3 5 0 68 328.21 4
Mid Mid (pH 6-8) 0.82 2.85 -46.16 4 5 1 69 329.218 4

Activity (Go SEA)

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