UCSF

ZINC37018455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 0.10 1.25 -49.21 4 8 1 121 254.222 3
Hi High (pH 8-9.5) 0.10 0.91 -8.13 3 8 0 119 253.214 3

Activity (Go SEA)

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