UCSF

ZINC06380998

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 2.77 7.41 -65.95 0 6 -1 79 380.42 8
Mid Mid (pH 6-8) 2.77 -0.03 -16.39 1 6 0 76 381.428 8
Mid Mid (pH 6-8) 2.19 -0.1 -26.18 0 6 0 72 381.428 8

Activity (Go SEA)

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