UCSF

ZINC32894315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 28 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) 1.72 6.37 -19.51 2 9 0 123 382.376 6
Mid Mid (pH 6-8) 2.17 4.59 -53.36 1 9 -1 126 381.368 6

Activity (Go SEA)

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