UCSF

ZINC35511831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 Yes

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) 3.35 10.93 -19.14 1 7 0 71 429.524 5
Mid Mid (pH 6-8) 3.35 11.31 -35.64 2 7 1 72 430.532 5

Activity (Go SEA)

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