UCSF

ZINC34669807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.15 6.48 -7.15 1 2 0 33 227.288 1
Hi High (pH 8-9.5) 3.61 4.57 -48.56 0 2 -1 36 226.28 1

Activity (Go SEA)

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