UCSF

ZINC35662012

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 3.36 7.3 -39.43 3 4 1 55 334.267 7
Hi High (pH 8-9.5) 3.36 5.85 -7.26 2 4 0 50 333.259 7

Activity (Go SEA)

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