UCSF

ZINC43248095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.91 3.47 -34.21 3 4 1 49 301.476 10
Hi High (pH 8-9.5) 1.91 3.04 -3.1 2 4 0 48 300.468 10
Mid Mid (pH 6-8) 1.91 4.33 -25.93 3 4 1 49 301.476 10
Mid Mid (pH 6-8) 1.91 4.63 -99.63 4 4 2 51 302.484 10

Activity (Go SEA)

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