UCSF

ZINC70513184

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) 2.73 7.84 -110.1 4 3 2 41 292.467 7
Hi High (pH 8-9.5) 2.73 4.44 -3.13 2 3 0 35 290.451 7
Mid Mid (pH 6-8) 2.73 6.8 -30.96 3 3 1 37 291.459 7
Mid Mid (pH 6-8) 2.73 6.01 -31.82 3 3 1 40 291.459 7

Activity (Go SEA)

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