UCSF

ZINC36165708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.11 2.28 -11.44 2 5 0 71 230.271 3
Lo Low (pH 4.5-6) 0.11 2.69 -40.78 3 5 1 72 231.279 3

Activity (Go SEA)

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