UCSF

ZINC03059594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 4.32 6.15 -10.31 3 6 0 91 381.819 4
Hi High (pH 8-9.5) 4.32 6.92 -51.35 2 6 -1 94 380.811 4
Lo Low (pH 4.5-6) 4.32 6.48 -35.6 4 6 1 92 382.827 4

Activity (Go SEA)

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