UCSF

ZINC04963064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 25 No

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) 2.79 3.15 -16.26 3 9 0 140 405.164 3
Hi High (pH 8-9.5) 2.61 3.89 -53.82 3 9 0 141 405.164 4
Hi High (pH 8-9.5) 3.24 2.18 -82.72 1 9 -2 146 403.148 3
Mid Mid (pH 6-8) 3.24 1.41 -38.35 2 9 -1 143 404.156 3

Activity (Go SEA)

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