UCSF

ZINC32087856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 2.67 6.9 -122 4 3 2 41 329.282 4
Mid Mid (pH 6-8) 2.67 7.02 -27.62 3 3 1 40 328.274 4
Mid Mid (pH 6-8) 2.67 5.04 -46.28 3 3 1 40 328.274 4

Activity (Go SEA)

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