UCSF

ZINC36197735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 0.76 1.23 -8.97 3 6 0 76 292.383 9
Mid Mid (pH 6-8) 0.76 3.48 -39.01 4 6 1 78 293.391 9
Lo Low (pH 4.5-6) 0.76 3.89 -95.82 5 6 2 79 294.399 9

Activity (Go SEA)

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