UCSF

ZINC04317302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 28 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) 4.00 5.05 -52.79 1 7 -1 100 395.464 7
Mid Mid (pH 6-8) 4.00 -2.8 -18.24 2 7 0 97 396.472 7

Activity (Go SEA)

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