UCSF

ZINC44894568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 No

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) 1.75 3.85 -13.05 2 6 0 79 307.394 3
Hi High (pH 8-9.5) 1.94 1.2 -44.33 1 6 -1 85 306.386 3

Activity (Go SEA)

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