UCSF

ZINC19796411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 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) 2.74 5.84 -15.12 2 6 0 80 369.377 3
Hi High (pH 8-9.5) 2.81 4.95 -40.5 1 6 -1 87 368.369 3

Activity (Go SEA)

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