UCSF

ZINC37240835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 0.56 0.99 -36.71 2 3 1 29 173.28 4
Hi High (pH 8-9.5) 0.56 -0.3 -2.94 1 3 0 24 172.272 4
Lo Low (pH 4.5-6) 0.56 3.48 -101.47 3 3 2 30 174.288 4

Activity (Go SEA)

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