UCSF

ZINC26439465

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 2.98 9.13 -35.62 1 4 1 28 336.544 3
Mid Mid (pH 6-8) 2.98 9.1 -36.03 1 4 1 28 336.544 3

Activity (Go SEA)

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