UCSF

ZINC37078765

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) 0.79 3.48 -104.13 4 2 2 32 146.278 4
Hi High (pH 8-9.5) 0.79 1.59 -35.38 3 2 1 31 145.27 4
Mid Mid (pH 6-8) 0.79 3.19 -30.41 3 2 1 30 145.27 4

Activity (Go SEA)

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