UCSF

ZINC13676943

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 4.64 7.68 -89.36 3 4 2 52 326.44 6
Hi High (pH 8-9.5) 4.01 9.62 -50.62 2 4 1 47 325.432 7

Activity (Go SEA)

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