UCSF

ZINC20193630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.26 5.3 -44.3 3 4 1 51 268.768 2
Mid Mid (pH 6-8) 1.26 2.98 -7.84 2 4 0 50 267.76 2

Activity (Go SEA)

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