UCSF

ZINC08739645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 28 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) 6.34 9.49 -10.42 2 4 0 58 411.288 5
Hi High (pH 8-9.5) 6.34 10.27 -47.16 1 4 -1 61 410.28 5
Hi High (pH 8-9.5) 6.34 10.26 -58.89 1 4 -1 61 410.28 5

Activity (Go SEA)

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