UCSF

ZINC08598987

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 32 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) 0.47 8.5 -12.85 0 10 0 116 457.512 6
Mid Mid (pH 6-8) 1.23 7.62 -53.48 0 10 -1 122 456.504 5

Activity (Go SEA)

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