UCSF

ZINC06381233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 4.10 11 -66.27 0 5 -1 70 392.475 7
Mid Mid (pH 6-8) 4.10 1.26 -12.1 1 5 0 66 393.483 7
Mid Mid (pH 6-8) 3.52 1.03 -11.44 0 5 0 63 393.483 7

Activity (Go SEA)

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