UCSF

ZINC34820359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 33 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) 5.61 13.04 -60.57 1 7 -1 100 444.511 9
Hi High (pH 8-9.5) 6.07 12.02 -116.31 0 7 -2 103 443.503 9

Activity (Go SEA)

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