UCSF

ZINC13721187

Substance Information

In ZINC since Heavy atoms Benign functionality
June 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) 2.12 2.62 -25.29 1 10 0 128 484.552 7
Hi High (pH 8-9.5) 2.12 2.71 -56.18 0 10 -1 130 483.544 7

Activity (Go SEA)

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