UCSF

ZINC34939297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 1.95 0.47 -9.51 2 6 0 92 302.739 3
Hi High (pH 8-9.5) 1.95 1.55 -108.47 0 6 -2 97 300.723 3
Mid Mid (pH 6-8) 1.95 0.79 -37.35 1 6 -1 95 301.731 3
Mid Mid (pH 6-8) 1.95 1.23 -36.44 1 6 -1 95 301.731 3

Activity (Go SEA)

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