UCSF

ZINC07591209

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 25 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) 0.80 4.93 -53.73 4 7 1 97 367.495 8
Mid Mid (pH 6-8) 0.80 2.73 -20.32 3 7 0 96 366.487 8

Activity (Go SEA)

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