UCSF

ZINC32012035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -1.00 -2.56 -9.28 1 5 0 59 208.283 4
Mid Mid (pH 6-8) -1.00 -1.17 -53.92 2 5 1 63 209.291 4

Activity (Go SEA)

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