UCSF

ZINC33382468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 22 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) 4.50 7.65 -40.35 0 6 -1 94 431.231 4
Mid Mid (pH 6-8) 4.50 7.6 -12.35 1 6 0 92 432.239 4

Activity (Go SEA)

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