UCSF

ZINC37269599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.81 6.9 -43.58 2 2 1 26 293.189 3
Hi High (pH 8-9.5) 3.81 5.81 -2.74 1 2 0 21 292.181 3

Activity (Go SEA)

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