UCSF

ZINC00940448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 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) 3.01 12.21 -11.21 1 8 0 88 386.452 7
Hi High (pH 8-9.5) 3.19 12.08 -39.22 0 8 -1 89 385.444 7

Activity (Go SEA)

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