UCSF

ZINC37014534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.25 5.68 -9.06 3 3 0 55 333.229 4
Mid Mid (pH 6-8) 1.25 6.01 -46.54 4 3 1 57 334.237 4

Activity (Go SEA)

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