UCSF

ZINC37982198

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 No

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) 1.84 4.05 -43.87 2 5 1 73 292.384 3
Mid Mid (pH 6-8) 1.84 3.95 -21.36 1 5 0 72 291.376 3

Activity (Go SEA)

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