UCSF

ZINC20524006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 16 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) 2.19 7.96 -30.84 2 2 1 16 237.392 3
Lo Low (pH 4.5-6) 2.19 8.17 -100.23 3 2 2 21 238.4 3

Activity (Go SEA)

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