UCSF

ZINC19901013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.95 4.22 -41.84 3 3 1 40 265.421 7
Mid Mid (pH 6-8) 2.95 5.21 -33.52 3 3 1 37 265.421 7
Lo Low (pH 4.5-6) 2.95 6.28 -116.47 4 3 2 41 266.429 7

Activity (Go SEA)

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