UCSF

ZINC37112439

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) 0.73 1.59 -41.32 3 2 1 31 145.27 5
Mid Mid (pH 6-8) 0.73 3.26 -107.92 4 2 2 32 146.278 5
Mid Mid (pH 6-8) 0.73 2.86 -27.9 3 2 1 30 145.27 5

Activity (Go SEA)

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