UCSF

ZINC36812878

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) 1.90 4.94 -50.23 0 5 -1 66 252.29 4
Mid Mid (pH 6-8) 1.90 7.21 -65.21 1 5 0 67 253.298 4

Activity (Go SEA)

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