UCSF

ZINC53116462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.68 1.48 -39.12 3 4 1 63 242.368 4
Hi High (pH 8-9.5) 1.68 0.26 -6.64 2 4 0 58 241.36 4

Activity (Go SEA)

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