UCSF

ZINC12948436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 32 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) 3.44 9.32 -12.42 3 8 0 101 453.93 7
Mid Mid (pH 6-8) 3.61 9.5 -41.72 2 8 -1 103 452.922 7

Activity (Go SEA)

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