UCSF

ZINC13744745

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 20 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) -0.53 4.61 -69.72 2 7 -1 110 278.336 4
Mid Mid (pH 6-8) -0.53 3.69 -45.12 3 7 0 111 279.344 4

Activity (Go SEA)

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