UCSF

ZINC04915887

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) -2.50 -2.35 -239.52 14 8 4 169 376.59 17
Hi High (pH 8-9.5) -2.50 -3.03 -105.24 12 8 2 166 374.574 17
Mid Mid (pH 6-8) -2.50 -2.69 -168.39 13 8 3 167 375.582 17

Activity (Go SEA)

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