UCSF

ZINC44609270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 No

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) 0.18 2.6 -40.6 4 5 1 76 243.356 6
Mid Mid (pH 6-8) 0.18 0.26 -10.15 3 5 0 75 242.348 6

Activity (Go SEA)

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