UCSF

ZINC61637412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 3.04 9.04 -15.72 1 4 0 49 285.391 3
Lo Low (pH 4.5-6) 3.04 9.53 -42.64 2 4 1 50 286.399 3

Activity (Go SEA)

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