UCSF

ZINC37078363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -0.13 1.18 -46.12 3 3 1 44 180.275 4
Mid Mid (pH 6-8) -0.13 3.42 -31.48 3 3 1 43 180.275 4
Mid Mid (pH 6-8) -0.13 3.17 -117.88 4 3 2 45 181.283 4

Activity (Go SEA)

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