UCSF

ZINC70513264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.27 7.52 -29.33 3 3 1 37 291.459 10
Lo Low (pH 4.5-6) 3.27 8.24 -99.08 4 3 2 41 292.467 10

Activity (Go SEA)

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