UCSF

ZINC35325358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 0.73 5.01 -47.63 0 5 -1 64 241.311 6
Mid Mid (pH 6-8) 0.73 7.22 -72.41 1 5 0 65 242.319 6
Lo Low (pH 4.5-6) 0.73 5.25 -44.93 2 5 1 62 243.327 6

Activity (Go SEA)

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