UCSF

ZINC15012256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 29 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) 7.16 12.23 -10.41 1 5 0 64 522.408 7
Mid Mid (pH 6-8) 6.67 11.69 -39.96 0 5 -1 63 521.4 8

Activity (Go SEA)

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