UCSF

ZINC39561489

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 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) 2.70 7.46 -37.23 1 6 1 51 371.486 4
Hi High (pH 8-9.5) 2.70 7.64 -12.28 0 6 0 50 370.478 4
Lo Low (pH 4.5-6) 2.70 9.91 -48.39 1 6 1 51 371.486 4

Activity (Go SEA)

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