UCSF

ZINC32616708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 19 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) 3.12 7.1 -6.15 0 4 0 42 278.739 4
Mid Mid (pH 6-8) 3.12 7.5 -37.94 1 4 1 44 279.747 4

Activity (Go SEA)

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