UCSF

ZINC35483009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 2.54 7.71 -11.31 1 7 0 71 427.524 7
Mid Mid (pH 6-8) 2.54 9.99 -49 2 7 1 72 428.532 7
Lo Low (pH 4.5-6) 2.54 10.35 -85.39 3 7 2 73 429.54 7

Activity (Go SEA)

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