UCSF

ZINC20596293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 4.62 8.59 -49.83 3 1 1 28 268.405 2
Hi High (pH 8-9.5) 4.62 8.28 -5.22 2 1 0 26 267.397 2

Activity (Go SEA)

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