UCSF

ZINC36996329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.66 7.62 -30.8 2 2 1 16 251.419 3
Lo Low (pH 4.5-6) 2.66 6.61 -37.18 2 2 1 20 251.419 3
Lo Low (pH 4.5-6) 2.66 8.87 -108.56 3 2 2 21 252.427 3

Activity (Go SEA)

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