UCSF

ZINC42772550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.79 2.95 -8.17 1 5 0 51 241.335 6
Mid Mid (pH 6-8) 0.79 3.08 -24.07 2 5 1 52 242.343 6

Activity (Go SEA)

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