UCSF

ZINC44861741

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) -0.18 -1.14 -12.12 3 6 0 82 228.296 3
Mid Mid (pH 6-8) -0.18 1.21 -52.66 4 6 1 83 229.304 3

Activity (Go SEA)

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