UCSF

ZINC44844040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 No

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) 1.90 3.45 -4.77 2 4 0 50 285.457 4
Mid Mid (pH 6-8) 1.90 5.85 -46.8 3 4 1 51 286.465 4

Activity (Go SEA)

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