UCSF

ZINC36632481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 2.95 9.04 -48.99 4 8 1 109 384.46 5
Mid Mid (pH 6-8) 2.95 6.82 -16.64 3 8 0 107 383.452 5

Activity (Go SEA)

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