UCSF

ZINC45699698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 3.64 9.26 -34.44 1 3 1 25 291.459 9
Hi High (pH 8-9.5) 3.64 8.81 -34.56 1 3 1 25 291.459 9
Hi High (pH 8-9.5) 3.64 6.79 -6.97 0 3 0 24 290.451 9
Lo Low (pH 4.5-6) 3.64 11.29 -103.52 2 3 2 26 292.467 9

Activity (Go SEA)

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