UCSF

ZINC34475182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 34 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) 1.71 4.31 -17.28 2 11 0 138 499.517 11
Hi High (pH 8-9.5) 2.16 2.66 -61.39 1 11 -1 141 498.509 11

Activity (Go SEA)

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