UCSF

ZINC37824777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.18 3.44 -44.97 3 5 1 70 266.365 8
Hi High (pH 8-9.5) 0.18 3.12 -12.94 2 5 0 68 265.357 8
Lo Low (pH 4.5-6) 0.18 3.86 -93.31 4 5 2 71 267.373 8

Activity (Go SEA)

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