UCSF

ZINC06753036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.61 4.98 -16.11 3 7 0 99 407.47 8
Mid Mid (pH 6-8) 3.61 5.75 -56.34 2 7 -1 102 406.462 8

Activity (Go SEA)

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