UCSF

ZINC36169485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.79 9.69 -135.4 4 2 2 32 292.511 4
Hi High (pH 8-9.5) 3.79 9.39 -36.26 3 2 1 30 291.503 4

Activity (Go SEA)

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