UCSF

ZINC44624137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.59 6.94 -38.07 2 3 1 34 266.796 4
Hi High (pH 8-9.5) 3.59 5.79 -7.79 1 3 0 30 265.788 4
Lo Low (pH 4.5-6) 3.59 7.01 -102.5 3 3 2 36 267.804 4

Activity (Go SEA)

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