UCSF

ZINC37224288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 33 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) 2.56 10.1 -12.36 0 8 0 67 467.595 7
Mid Mid (pH 6-8) 2.56 12.17 -42.42 1 8 1 68 468.603 7

Activity (Go SEA)

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