UCSF

ZINC37078349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.95 1.43 -38.12 3 2 1 31 145.27 5
Mid Mid (pH 6-8) 0.95 3.65 -113.68 4 2 2 32 146.278 5
Mid Mid (pH 6-8) 0.95 2.88 -29.03 3 2 1 30 145.27 5

Activity (Go SEA)

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