UCSF

ZINC45697525

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.53 4.45 -95.58 4 4 2 51 246.395 11
Hi High (pH 8-9.5) 0.53 3.03 -36.36 3 4 1 46 245.387 11

Activity (Go SEA)

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