UCSF

ZINC37794757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.53 7.19 -72.07 2 6 0 83 292.335 7
Hi High (pH 8-9.5) 1.53 4.69 -54.81 1 6 -1 82 291.327 7
Lo Low (pH 4.5-6) 1.53 5.62 -46.45 3 6 1 80 293.343 7

Activity (Go SEA)

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