UCSF

ZINC20518107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.08 6.83 -24.08 1 9 0 105 395.419 6
Mid Mid (pH 6-8) 2.08 7.24 -40.09 2 9 1 106 396.427 6

Activity (Go SEA)

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