UCSF

ZINC35686498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.25 5.44 -12.38 0 6 0 57 333.432 4
Mid Mid (pH 6-8) 1.25 7.49 -48.23 1 6 1 58 334.44 4

Activity (Go SEA)

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