UCSF

ZINC23374473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.11 7.52 -44.69 2 5 1 46 385.528 8
Lo Low (pH 4.5-6) 3.11 10 -127.5 3 5 2 48 386.536 8
Lo Low (pH 4.5-6) 3.11 7.78 -48.27 2 5 1 46 385.528 8

Activity (Go SEA)

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