UCSF

ZINC34964456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.29 7.23 -121.22 6 11 -1 202 412.382 8
Mid Mid (pH 6-8) -1.29 6.11 -122.5 5 11 -2 200 411.374 8
Lo Low (pH 4.5-6) -1.29 5.26 -75.72 7 11 0 199 413.39 8

Activity (Go SEA)

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