UCSF

ZINC08817988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 36 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) 3.45 10.72 -58.84 0 9 -1 118 507.544 9
Mid Mid (pH 6-8) 3.89 10.25 -23.73 1 9 0 115 508.552 8
Mid Mid (pH 6-8) 2.86 10.93 -15.8 0 9 0 112 508.552 9

Activity (Go SEA)

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