UCSF

ZINC34595359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 1.29 5.34 -103.84 3 4 2 40 242.363 2
Hi High (pH 8-9.5) 1.29 2.64 -3.11 1 4 0 34 240.347 2
Hi High (pH 8-9.5) 1.29 2.99 -36.15 2 4 1 38 241.355 2
Mid Mid (pH 6-8) 1.29 5.39 -24.16 2 4 1 35 241.355 2

Activity (Go SEA)

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