UCSF

ZINC49937342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 25 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) 6.25 8.65 -12.15 1 4 0 58 385.901 2
Hi High (pH 8-9.5) 5.39 7.74 -53.12 0 4 -1 61 384.893 3

Activity (Go SEA)

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