UCSF

ZINC00754467

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 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) 4.11 -4.16 -10.1 1 4 0 59 350.852 4
Hi High (pH 8-9.5) 4.11 -3.58 -40.51 0 4 -1 61 349.844 4

Activity (Go SEA)

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