UCSF

ZINC32678698

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 30 No

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) 4.22 10.97 -11.22 0 7 0 83 405.454 5
Mid Mid (pH 6-8) 4.22 13.24 -52.22 1 7 1 84 406.462 5

Activity (Go SEA)

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