UCSF

ZINC36986181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.90 5.71 -33.47 2 4 1 43 266.361 7
Hi High (pH 8-9.5) 1.90 3.22 -7.06 1 4 0 42 265.353 7

Activity (Go SEA)

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