UCSF

ZINC01505633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 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) 2.64 6.25 -60 1 7 -1 103 361.447 5
Lo Low (pH 4.5-6) 2.64 6.55 -18.12 2 7 0 101 362.455 5

Activity (Go SEA)

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