UCSF

ZINC37032947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.82 3.4 -49.12 4 6 1 82 293.391 5
Hi High (pH 8-9.5) 0.82 3.12 -8.44 3 6 0 80 292.383 5
Mid Mid (pH 6-8) 0.82 3.75 -94.47 5 6 2 83 294.399 5

Activity (Go SEA)

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