UCSF

ZINC09370770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 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) 4.03 11.18 -57.38 0 7 -1 100 465.482 6
Mid Mid (pH 6-8) 4.48 1.03 -31.16 1 7 0 96 466.49 5
Mid Mid (pH 6-8) 3.45 1.26 -21.43 0 7 0 93 466.49 6

Activity (Go SEA)

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