UCSF

ZINC10391871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2007 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) 4.26 -2.95 -11.17 2 3 0 51 335.885 3
Lo Low (pH 4.5-6) 4.26 -2.86 -27.74 3 3 1 53 336.893 3
Lo Low (pH 4.5-6) 4.26 -2.86 -33.66 3 3 1 53 336.893 3

Activity (Go SEA)

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