UCSF

ZINC37801742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.71 4.76 -41.4 3 4 1 61 262.377 6
Hi High (pH 8-9.5) 0.71 4.49 -7.28 2 4 0 59 261.369 6
Lo Low (pH 4.5-6) 0.71 5.34 -93 4 4 2 62 263.385 6

Activity (Go SEA)

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