UCSF

ZINC00576702

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 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) 1.04 -2.97 -20.03 1 8 0 97 373.8 2
Mid Mid (pH 6-8) -2.05 -2.75 -45.3 2 8 1 99 374.808 1

Activity (Go SEA)

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