UCSF

ZINC20219246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 1.93 7.77 -77.29 1 8 0 93 438.48 7
Hi High (pH 8-9.5) 1.93 5.24 -61.22 0 8 -1 91 437.472 7
Lo Low (pH 4.5-6) 1.93 6.95 -51.47 2 8 1 90 439.488 7

Activity (Go SEA)

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