UCSF

ZINC31819119

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 23 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) 1.93 4.19 -19.14 2 7 0 93 348.409 4
Hi High (pH 8-9.5) 2.00 2.99 -53.8 1 7 -1 100 347.401 4

Activity (Go SEA)

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