UCSF

ZINC36980147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.70 8.76 -43.93 2 4 1 52 292.399 10
Hi High (pH 8-9.5) 3.70 7.66 -7.64 1 4 0 48 291.391 10

Activity (Go SEA)

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