UCSF

ZINC61721517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) 2.29 7.16 -55.58 1 5 -1 82 283.307 3
Lo Low (pH 4.5-6) 2.29 5.19 -15.09 2 5 0 79 284.315 3

Activity (Go SEA)

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