UCSF

ZINC28526314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 26 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) 2.57 7.88 -57.56 3 6 1 80 362.494 11
Hi High (pH 8-9.5) 2.57 5.65 -21.88 2 6 0 79 361.486 11

Activity (Go SEA)

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