UCSF

ZINC41870033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 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) 2.49 4.21 -13.51 1 6 0 64 360.454 7
Mid Mid (pH 6-8) 2.49 7.77 -50.38 2 6 1 65 361.462 7

Activity (Go SEA)

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