UCSF

ZINC09043395

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 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) 5.53 13.85 -53.25 0 8 -1 119 502.503 5
Mid Mid (pH 6-8) 5.98 12.83 -24.35 1 8 0 116 503.511 4
Mid Mid (pH 6-8) 4.95 14 -17.25 0 8 0 113 503.511 5

Activity (Go SEA)

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