UCSF

ZINC70655439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 16 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) 3.49 6.62 -4.98 1 2 0 25 222.307 2
Lo Low (pH 4.5-6) 3.49 7.09 -27.2 2 2 1 26 223.315 2

Activity (Go SEA)

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