UCSF

ZINC61995304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 2.66 7.16 -36.95 2 2 1 16 257.76 6
Mid Mid (pH 6-8) 2.66 6.07 -49.44 2 2 1 20 257.76 6
Mid Mid (pH 6-8) 2.66 8.52 -125.27 3 2 2 21 258.768 6

Activity (Go SEA)

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