UCSF

ZINC34525947

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.00 7.54 -51.95 2 2 1 34 218.32 4
Hi High (pH 8-9.5) 2.00 6.35 -5.7 1 2 0 29 217.312 4

Activity (Go SEA)

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