UCSF

ZINC01594968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) -1.33 0.15 -51.81 5 4 1 79 153.209 2
Lo Low (pH 4.5-6) -1.33 0.44 -98.4 6 4 2 81 154.217 2
Lo Low (pH 4.5-6) -1.33 -3.21 -102.01 6 4 2 81 154.217 2

Activity (Go SEA)

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