UCSF

ZINC37275672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 2.18 4.63 -30.35 2 5 1 42 289.403 5
Mid Mid (pH 6-8) 2.18 6.41 -79.02 3 5 2 43 290.411 5
Mid Mid (pH 6-8) 2.18 6.05 -37.32 2 5 1 42 289.403 5
Mid Mid (pH 6-8) 2.18 3.78 -4.95 1 5 0 41 288.395 5

Activity (Go SEA)

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