UCSF

ZINC03641380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 2.66 11.88 -9.1 1 6 0 63 380.492 6
Mid Mid (pH 6-8) 2.66 11.98 -22.48 2 6 0 64 381.5 6

Activity (Go SEA)

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