UCSF

ZINC27457146

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 26 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) 3.23 8.05 -43.59 3 5 1 63 362.538 10
Hi High (pH 8-9.5) 3.23 5.99 -9.87 2 5 0 61 361.53 10

Activity (Go SEA)

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