UCSF

ZINC02721465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 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) 4.22 0.04 -15.63 1 4 0 46 333.435 6
Mid Mid (pH 6-8) 0.81 0.2 -36.48 2 4 1 48 334.443 6

Activity (Go SEA)

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