UCSF

ZINC08683240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 27 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) 3.04 5.35 -17 3 7 0 100 362.389 4
Mid Mid (pH 6-8) 3.04 7.36 -24.01 3 7 0 104 362.389 4
Mid Mid (pH 6-8) 3.04 5.4 -17.56 3 7 0 100 362.389 4

Activity (Go SEA)

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