UCSF

ZINC00266590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.00 3.74 -16.14 1 6 0 79 317.37 4
Mid Mid (pH 6-8) 1.00 3.76 -53.45 0 6 -1 81 316.362 4

Activity (Go SEA)

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