UCSF

ZINC42277589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.50 4.44 -31.41 2 3 1 20 252.426 2
Lo Low (pH 4.5-6) 1.50 6.84 -98.34 3 3 2 21 253.434 2
Lo Low (pH 4.5-6) 1.50 8.18 -189.22 4 3 3 25 254.442 2

Activity (Go SEA)

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