UCSF

ZINC41481995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 3.49 9.59 -51.53 0 4 -1 59 291.367 7
Lo Low (pH 4.5-6) 3.49 7.74 -8.86 1 4 0 56 292.375 7

Activity (Go SEA)

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