UCSF

ZINC31969753

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 33 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) 2.26 9.27 -15.49 0 7 0 62 451.567 8
Mid Mid (pH 6-8) 2.26 11.6 -58.98 1 7 1 64 452.575 8

Activity (Go SEA)

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