UCSF

ZINC53780736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 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) 2.95 7.98 -9.48 0 2 0 30 205.301 7
Lo Low (pH 4.5-6) 2.95 8.44 -34.26 1 2 1 31 206.309 7

Activity (Go SEA)

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