UCSF

ZINC19939672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 3.60 9.28 -10.01 0 4 0 30 333.435 5
Mid Mid (pH 6-8) 3.60 9.67 -32.33 1 4 1 32 334.443 5

Activity (Go SEA)

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