UCSF

ZINC21813316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 1.01 2.14 -112.03 0 7 -2 110 300.317 5
Mid Mid (pH 6-8) 1.93 1.87 -58.41 1 7 -1 112 301.325 4

Activity (Go SEA)

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