UCSF

ZINC02893174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 22 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) 5.19 8.76 -7.54 2 4 0 57 374.263 3
Hi High (pH 8-9.5) 4.26 7.74 -42.52 1 4 -1 56 373.255 4
Lo Low (pH 4.5-6) 4.26 8.9 -33.8 3 4 1 55 375.271 4

Activity (Go SEA)

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