UCSF

ZINC70160763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 17 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) 1.77 7.18 -38.24 1 3 1 31 232.351 6
Mid Mid (pH 6-8) 1.77 9.52 -109.96 2 3 2 33 233.359 6

Activity (Go SEA)

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