UCSF

ZINC09380584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 5.29 12.59 -50.4 0 7 -1 106 492.305 5
Mid Mid (pH 6-8) 4.71 0.7 -21.99 0 7 0 100 493.313 5
Mid Mid (pH 6-8) 5.74 11.55 -30.8 1 7 0 103 493.313 4

Activity (Go SEA)

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