UCSF

ZINC13685522

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 4.09 9.33 -102.53 0 8 -2 128 428.4 5
Lo Low (pH 4.5-6) 3.64 12.07 -56.4 1 8 -1 125 429.408 5

Activity (Go SEA)

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