UCSF

ZINC21787356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.48 8.11 -14.83 0 4 0 38 285.391 3
Lo Low (pH 4.5-6) 2.48 9.23 -26.2 1 4 1 39 286.399 3

Activity (Go SEA)

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