UCSF

ZINC09067180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 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) 3.77 10.22 -59.53 0 5 -1 73 462.323 5
Mid Mid (pH 6-8) 4.22 10.51 -13.08 1 5 0 71 463.331 4
Lo Low (pH 4.5-6) 4.22 10.79 -39.11 2 5 1 72 464.339 4

Activity (Go SEA)

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