UCSF

ZINC36876283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.97 4.68 -47.09 4 3 1 56 257.144 3
Lo Low (pH 4.5-6) 1.97 5.13 -109.84 5 3 2 58 258.152 3
Lo Low (pH 4.5-6) 1.97 5.12 -109.21 5 3 2 58 258.152 3

Activity (Go SEA)

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