UCSF

ZINC09273007

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

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) 5.20 11.57 -55.79 0 6 -1 79 491.391 9
Mid Mid (pH 6-8) 5.65 10.92 -17.1 1 6 0 76 492.399 8

Activity (Go SEA)

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