UCSF

ZINC31912126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.54 4.53 -50.84 3 3 1 45 190.27 1
Hi High (pH 8-9.5) -0.54 4.2 -10.81 2 3 0 43 189.262 1
Mid Mid (pH 6-8) -0.54 4.93 -95.51 4 3 2 46 191.278 1

Activity (Go SEA)

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