UCSF

ZINC30637561

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 27 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) 3.30 10.89 -13.87 1 4 0 42 364.489 8
Mid Mid (pH 6-8) 3.30 12.3 -40.15 2 4 1 46 365.497 8

Activity (Go SEA)

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