UCSF

ZINC34680510

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 5.13 10.27 -45.16 2 5 1 62 437.585 6
Hi High (pH 8-9.5) 5.13 11.03 -39.52 1 5 0 65 436.577 6

Activity (Go SEA)

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