UCSF

ZINC08958671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 35 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) 6.33 10.33 -16.2 1 7 0 90 509.653 7
Mid Mid (pH 6-8) 6.33 10.35 -63.07 0 7 -1 92 508.645 7
Mid Mid (pH 6-8) 6.33 9.28 -58.1 0 7 -1 92 508.645 7

Activity (Go SEA)

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