UCSF

ZINC36677457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.57 3.48 -101.44 4 2 2 32 146.278 4
Hi High (pH 8-9.5) 0.57 3.11 -30.29 3 2 1 30 145.27 4
Mid Mid (pH 6-8) 0.57 1.58 -39.09 3 2 1 31 145.27 4

Activity (Go SEA)

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