UCSF

ZINC37270222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) -2.32 2.59 -99 4 6 2 73 246.355 7
Hi High (pH 8-9.5) -2.32 0.34 -55.21 3 6 1 71 245.347 7

Activity (Go SEA)

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