UCSF

ZINC01097773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 4.11 6.83 -14.71 3 8 0 134 428.235 3
Lo Low (pH 4.5-6) 4.11 7.02 -71.25 4 8 1 135 429.243 3

Activity (Go SEA)

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