UCSF

ZINC34949316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 4.52 10.98 -56.11 4 7 0 118 393.443 4
Hi High (pH 8-9.5) 4.52 11.2 -55.22 3 7 -1 117 392.435 4

Activity (Go SEA)

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