UCSF

ZINC37092569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.12 6.59 -39.07 2 2 1 20 291.381 3
Mid Mid (pH 6-8) 3.12 9.13 -31.94 2 2 1 16 291.381 3
Lo Low (pH 4.5-6) 3.12 8.95 -105.65 3 2 2 21 292.389 3

Activity (Go SEA)

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