UCSF

ZINC36983652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.23 4.3 -48.44 1 7 -1 113 300.312 8
Mid Mid (pH 6-8) 1.23 4.46 -97.01 0 7 -2 115 299.304 8

Activity (Go SEA)

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