UCSF

ZINC08722027

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 2.64 3.93 -23.75 3 9 0 128 454.508 7
Hi High (pH 8-9.5) 2.64 4.68 -65.75 2 9 -1 131 453.5 7
Lo Low (pH 4.5-6) 2.64 4.26 -51.7 4 9 1 130 455.516 7

Activity (Go SEA)

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