UCSF

ZINC20523560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 1.12 2.9 -8.7 3 4 0 68 207.277 4
Lo Low (pH 4.5-6) 1.12 3.23 -33.88 4 4 1 69 208.285 4

Activity (Go SEA)

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