UCSF

ZINC35719074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 2.77 7.76 -49.84 3 2 1 31 281.489 4
Mid Mid (pH 6-8) 2.77 8.04 -169.42 4 2 0 32 282.497 4

Activity (Go SEA)

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