UCSF

ZINC61644395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 15 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) 1.05 3.97 -89.36 3 3 2 24 213.369 4
Mid Mid (pH 6-8) 1.05 3.98 -98.06 3 3 2 24 213.369 4
Mid Mid (pH 6-8) 1.05 1.74 -37.28 2 3 1 23 212.361 4
Lo Low (pH 4.5-6) 1.05 6.23 -188.18 4 3 3 25 214.377 4

Activity (Go SEA)

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