UCSF

ZINC44200240

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 3.34 6.42 -8.12 1 4 0 50 237.299 6
Hi High (pH 8-9.5) 3.34 7.42 -54.94 0 4 -1 53 236.291 6
Lo Low (pH 4.5-6) 3.34 6.51 -31.33 2 4 0 51 238.307 6

Activity (Go SEA)

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