UCSF

ZINC04342631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 16 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) 0.76 3.06 -11.21 2 5 0 81 214.228 3
Mid Mid (pH 6-8) 0.58 2.69 -115.5 4 5 2 84 216.244 4

Activity (Go SEA)

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