UCSF

ZINC36322667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.18 1.8 -9.58 3 5 0 68 277.368 5
Mid Mid (pH 6-8) 1.18 3.97 -42.47 4 5 1 69 278.376 5

Activity (Go SEA)

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