UCSF

ZINC35477693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 1.64 5.93 -50.34 2 7 1 70 378.522 3
Mid Mid (pH 6-8) 1.64 3.71 -11.96 1 7 0 69 377.514 3

Activity (Go SEA)

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