UCSF

ZINC09281698

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 3.58 7.31 -69.45 0 8 -1 97 468.526 11
Mid Mid (pH 6-8) 4.03 6.72 -29.66 1 8 0 95 469.534 10
Mid Mid (pH 6-8) 3.00 0.18 -23.07 0 8 0 91 469.534 11

Activity (Go SEA)

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