UCSF

ZINC04870435

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 26 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) 2.05 6.21 -59.62 0 6 -1 83 358.345 7
Mid Mid (pH 6-8) 2.50 0.41 -31.18 1 6 0 79 359.353 6
Mid Mid (pH 6-8) 1.47 0.59 -22.89 0 6 0 76 359.353 7

Activity (Go SEA)

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