UCSF

ZINC37821636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.20 2.95 -51.64 4 5 1 80 254.354 5
Hi High (pH 8-9.5) -0.20 1.59 -14.53 3 5 0 75 253.346 5

Activity (Go SEA)

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