UCSF

ZINC13079045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 25 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) 2.79 6.35 -52.65 1 7 -1 113 362.383 8
Hi High (pH 8-9.5) 2.79 6.42 -94.2 0 7 -2 115 361.375 8

Activity (Go SEA)

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