UCSF

ZINC34985374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) 2.08 7.3 -93.34 4 7 1 100 429.537 7
Hi High (pH 8-9.5) 2.08 6.14 -81.56 3 7 0 95 428.529 7
Hi High (pH 8-9.5) 2.08 4.03 -51.91 2 7 -1 94 427.521 7
Mid Mid (pH 6-8) 2.08 5.19 -47.78 3 7 0 99 428.529 7

Activity (Go SEA)

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