UCSF

ZINC37807419

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) 1.28 5.7 -41.04 3 4 1 51 264.393 6
Hi High (pH 8-9.5) 1.28 5.37 -9.16 2 4 0 50 263.385 6
Lo Low (pH 4.5-6) 1.28 6.46 -66.87 4 4 0 52 265.401 6

Activity (Go SEA)

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