UCSF

ZINC16904632

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) 3.56 3.93 -10.9 2 5 0 78 311.366 2
Lo Low (pH 4.5-6) 3.56 4.21 -49.56 3 5 1 80 312.374 2

Activity (Go SEA)

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