UCSF

ZINC45630733

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.93 7.3 -34.24 2 2 1 16 223.384 5
Hi High (pH 8-9.5) 2.93 5.08 -0.65 1 2 0 15 222.376 5
Lo Low (pH 4.5-6) 2.93 6.26 -36.88 2 2 1 20 223.384 5
Lo Low (pH 4.5-6) 2.93 8.48 -112.84 3 2 2 21 224.392 5

Activity (Go SEA)

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