UCSF

ZINC19496485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 23 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) 3.87 10.12 -35.23 1 3 1 21 313.465 3
Lo Low (pH 4.5-6) 3.87 12.37 -108.19 2 3 2 22 314.473 3

Activity (Go SEA)

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