UCSF

ZINC33774586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 4.18 9.35 -55.45 0 8 -1 91 507.607 11
Mid Mid (pH 6-8) 4.18 11.68 -69.13 1 8 0 93 508.615 11
Lo Low (pH 4.5-6) 4.18 10.38 -58.78 2 8 1 90 509.623 11

Activity (Go SEA)

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