UCSF

ZINC37293181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 4.00 10.04 -42.29 2 3 1 34 351.312 6
Mid Mid (pH 6-8) 4.00 9.01 -4.84 1 3 0 30 350.304 6

Activity (Go SEA)

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