UCSF

ZINC13583319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 4.24 9.74 -7.46 1 3 0 41 368.355 4
Mid Mid (pH 6-8) 4.24 9.34 -33.53 0 3 -1 44 367.347 5
Lo Low (pH 4.5-6) 4.24 9.69 -12.97 1 3 0 41 368.355 5

Activity (Go SEA)

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