UCSF

ZINC27934073

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 0.72 2.32 -20.22 2 7 0 93 308.363 4
Mid Mid (pH 6-8) 0.72 2.43 -46.92 3 7 1 94 309.371 4
Mid Mid (pH 6-8) 0.72 2.37 -50.29 1 7 -1 95 307.355 4

Activity (Go SEA)

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