UCSF

ZINC36169499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.17 0.79 -55.13 3 4 1 65 221.346 4
Hi High (pH 8-9.5) 0.17 0.39 -8.19 2 4 0 63 220.338 4

Activity (Go SEA)

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