UCSF

ZINC37180956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 1.69 4.82 -10.99 3 3 0 51 221.329 4
Lo Low (pH 4.5-6) 1.69 5.16 -42.26 4 3 1 52 222.337 4

Activity (Go SEA)

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