UCSF

ZINC33139793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 3.40 9.69 -16.05 1 8 0 79 455.566 6
Mid Mid (pH 6-8) 3.40 11.96 -59.08 2 8 1 80 456.574 6
Lo Low (pH 4.5-6) 3.40 12.39 -119.16 3 8 2 82 457.582 6

Activity (Go SEA)

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