UCSF

ZINC09350789

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 4.11 9.18 -55.08 0 7 -1 82 497.999 9
Mid Mid (pH 6-8) 4.56 11.22 -47.28 2 7 1 81 500.015 8
Mid Mid (pH 6-8) 4.11 11.53 -71.84 1 7 0 83 499.007 9

Activity (Go SEA)

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