UCSF

ZINC20464417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 3.62 6.36 -54.09 3 9 1 103 422.465 4
Mid Mid (pH 6-8) 3.62 3.84 -15.68 2 9 0 102 421.457 4

Activity (Go SEA)

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