UCSF

ZINC32914416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 21 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) 1.01 4.8 -16.82 2 6 0 74 290.367 7
Mid Mid (pH 6-8) 1.01 5.08 -42.43 3 6 1 76 291.375 7

Activity (Go SEA)

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