UCSF

ZINC02220644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 24 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) 3.80 9.39 -14.92 0 6 0 65 384.237 3
Mid Mid (pH 6-8) 3.80 10.39 -32.51 2 6 1 70 385.245 3

Activity (Go SEA)

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