UCSF

ZINC44624472

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -1.48 4.81 -59.14 2 5 0 77 200.238 6
Hi High (pH 8-9.5) -1.48 3.53 -52.28 1 5 -1 72 199.23 6

Activity (Go SEA)

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