UCSF

ZINC09090076

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 22 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) 4.18 6.81 -14.93 2 5 0 63 313.382 3
Mid Mid (pH 6-8) 3.81 2.5 -39.97 1 5 -1 69 312.374 4

Activity (Go SEA)

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