UCSF

ZINC34683320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 4.88 12.18 -40.94 2 5 1 54 431.556 6
Hi High (pH 8-9.5) 4.88 13.07 -42.17 1 5 0 57 430.548 6

Activity (Go SEA)

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