UCSF

ZINC03945068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 23 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 6.39 -42.01 0 5 -1 82 302.313 3
Mid Mid (pH 6-8) 3.45 -0.3 -16.97 1 5 0 79 303.321 3

Activity (Go SEA)

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