UCSF

ZINC13090254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 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) 3.15 4.81 -52.44 1 7 -1 105 362.383 5
Hi High (pH 8-9.5) 3.15 4.89 -127.12 0 7 -2 107 361.375 5

Activity (Go SEA)

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