UCSF

ZINC52298368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 0.87 -0.36 -10.42 2 5 0 79 248.329 3
Mid Mid (pH 6-8) 1.32 -2.59 -41.47 1 5 -1 82 247.321 3

Activity (Go SEA)

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