UCSF

ZINC36803993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 1.49 6.66 -55.8 2 5 1 69 252.29 8
Mid Mid (pH 6-8) 1.49 5.3 -9.21 1 5 0 65 251.282 8

Activity (Go SEA)

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