UCSF

ZINC31959713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 35 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) -2.76 4.17 -145.76 4 14 -2 227 481.425 9
Hi High (pH 8-9.5) -2.31 3.05 -198.13 3 14 -3 230 480.417 9
Lo Low (pH 4.5-6) -2.76 3.04 -91.42 5 14 -1 224 482.433 9

Activity (Go SEA)

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