UCSF

ZINC04372407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 28 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) 1.99 7.72 -15.81 1 6 0 72 373.412 5
Lo Low (pH 4.5-6) 1.99 8 -49.6 2 6 1 73 374.42 5

Activity (Go SEA)

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