UCSF

ZINC00129173

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.56 -2.35 -7.27 2 3 0 52 219.313 0
Lo Low (pH 4.5-6) 2.56 -2.22 -27.53 3 3 1 53 220.321 0
Lo Low (pH 4.5-6) 2.56 -2.22 -34.19 3 3 1 53 220.321 0

Activity (Go SEA)

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