UCSF

ZINC51127290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 22 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) 1.40 5.48 -39.15 1 5 1 35 307.414 6
Mid Mid (pH 6-8) 1.40 3.21 -6.63 0 5 0 34 306.406 6
Mid Mid (pH 6-8) 1.40 5.47 -40.43 1 5 1 35 307.414 6

Activity (Go SEA)

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