UCSF

ZINC03870143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 31 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) -5.03 -4.12 -326.96 3 18 -4 287 503.235 8
Mid Mid (pH 6-8) -5.03 -5.25 -196.64 4 18 -3 284 504.243 8

Activity (Go SEA)

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