UCSF

ZINC20247406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 1.70 2.64 -54.61 3 5 1 66 300.448 3
Mid Mid (pH 6-8) 1.70 1.22 -10.48 2 5 0 61 299.44 3

Activity (Go SEA)

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