UCSF

ZINC36778734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.71 6.85 -5.69 1 2 0 25 244.313 5
Lo Low (pH 4.5-6) 2.71 7.3 -34.38 2 2 1 26 245.321 5

Activity (Go SEA)

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