UCSF

ZINC44825507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 4.15 6.53 -8.96 1 4 0 66 265.382 4
Hi High (pH 8-9.5) 4.33 5.12 -38.81 0 4 -1 72 264.374 4

Activity (Go SEA)

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