UCSF

ZINC31996395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 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) 1.67 3.18 -38.36 2 2 1 20 171.308 2
Lo Low (pH 4.5-6) 1.67 3.6 -29.13 2 2 1 16 171.308 2
Lo Low (pH 4.5-6) 1.67 5.02 -109.76 3 2 2 21 172.316 2

Activity (Go SEA)

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