UCSF

ZINC13726992

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.81 4.52 -10.53 1 5 0 64 282.299 4
Lo Low (pH 4.5-6) 1.81 4.8 -40.16 2 5 1 66 283.307 4

Activity (Go SEA)

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