UCSF

ZINC34994281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 0.66 3.98 -48.44 2 4 1 40 242.387 6
Hi High (pH 8-9.5) 0.66 2.79 -8.37 1 4 0 36 241.379 6
Mid Mid (pH 6-8) 0.66 6.07 -123.36 3 4 2 41 243.395 6
Mid Mid (pH 6-8) 0.66 4.93 -40.08 2 4 1 37 242.387 6

Activity (Go SEA)

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