UCSF

ZINC37081421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.67 9.15 -29.7 1 4 0 58 242.278 3
Hi High (pH 8-9.5) 2.67 8.76 -58.85 0 4 -1 56 241.27 3

Activity (Go SEA)

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