UCSF

ZINC00651431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 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) 4.36 13.49 -12.22 0 4 0 43 367.25 2
Mid Mid (pH 6-8) 4.36 14.33 -47.19 2 4 1 47 368.258 2
Lo Low (pH 4.5-6) 4.36 13.8 -36.52 1 4 1 45 368.258 2

Activity (Go SEA)

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