UCSF

ZINC32558349

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 23 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) 3.17 5.86 -42.48 2 4 1 32 326.549 5
Mid Mid (pH 6-8) 3.17 7.54 -108.14 3 4 2 34 327.557 5
Lo Low (pH 4.5-6) 3.17 9.17 -182.64 4 4 3 35 328.565 5
Lo Low (pH 4.5-6) 3.17 8.09 -75.66 3 4 2 30 327.557 5

Activity (Go SEA)

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