UCSF

ZINC36731798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 1.62 4.42 -41.91 3 2 1 31 207.341 6
Mid Mid (pH 6-8) 1.62 6.16 -33.23 3 2 1 30 207.341 6

Activity (Go SEA)

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