UCSF

ZINC33808672

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 4.65 13.88 -66.76 1 7 0 87 493.648 15
Lo Low (pH 4.5-6) 4.65 12.58 -52.83 2 7 1 84 494.656 15

Activity (Go SEA)

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