UCSF

ZINC27632468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 22 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) 3.83 8.6 -12.48 2 4 0 50 312.804 5
Mid Mid (pH 6-8) 3.83 9.04 -33.49 3 4 1 51 313.812 5

Activity (Go SEA)

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