UCSF

ZINC34932299

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

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) 4.84 11.6 -46.97 0 7 -1 100 507.975 8
Lo Low (pH 4.5-6) 4.84 10.87 -11.88 1 7 0 97 508.983 8

Activity (Go SEA)

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