UCSF

ZINC00159765

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 1.22 4.59 -5.4 2 5 0 79 203.249 1
Lo Low (pH 4.5-6) 1.22 4.81 -35.09 3 5 1 80 204.257 1
Lo Low (pH 4.5-6) 1.22 1.43 -30.13 3 5 1 80 204.257 1

Activity (Go SEA)

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