UCSF

ZINC37386163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.84 5.12 -42.82 2 4 1 51 368.704 3
Hi High (pH 8-9.5) 2.84 4.9 -41.36 1 4 0 53 367.696 3

Activity (Go SEA)

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