UCSF

ZINC37150116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.74 7.61 -35.35 2 3 1 29 262.421 6
Mid Mid (pH 6-8) 2.74 6.5 -32.81 2 3 1 33 262.421 6
Lo Low (pH 4.5-6) 2.74 8.01 -78.69 3 3 2 31 263.429 6

Activity (Go SEA)

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