UCSF

ZINC32919400

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 22 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) 4.28 10.77 -13.75 1 4 0 43 382.327 4
Mid Mid (pH 6-8) 5.01 10.61 -46.28 0 4 -1 40 381.319 4

Activity (Go SEA)

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