UCSF

ZINC37256243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 1.48 6.13 -37.65 2 4 1 34 251.398 4
Lo Low (pH 4.5-6) 1.48 7.32 -106.44 3 4 2 39 252.406 4
Lo Low (pH 4.5-6) 1.48 4.93 -41.04 2 4 1 38 251.398 4

Activity (Go SEA)

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