UCSF

ZINC31820529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 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) 3.05 3.21 -56.09 1 7 -1 99 348.386 3
Ref Reference (pH 7) 2.86 5.9 -53.26 1 7 -1 96 348.386 3
Lo Low (pH 4.5-6) 2.59 5.08 -13.66 2 7 0 96 349.394 3
Lo Low (pH 4.5-6) 2.40 7.72 -14.47 2 7 0 93 349.394 3

Activity (Go SEA)

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