UCSF

ZINC32611683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 29 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) 2.06 10.29 -20.57 1 7 0 78 386.459 4
Mid Mid (pH 6-8) 2.06 10.72 -45.17 2 7 1 79 387.467 4

Activity (Go SEA)

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