UCSF

ZINC38448410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 24 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) 1.80 3.74 -14.4 2 6 0 78 342.321 7
Mid Mid (pH 6-8) 1.80 5.7 -50.83 3 6 1 79 343.329 7

Activity (Go SEA)

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