UCSF

ZINC02794076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 4.45 10.79 -15.12 4 7 0 83 508.957 8
Ref Reference (pH 7) 4.63 11.09 -53.4 5 7 1 88 509.965 8
Mid Mid (pH 6-8) 4.63 10.2 -15.58 4 7 0 86 508.957 8

Activity (Go SEA)

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