UCSF

ZINC45852909

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 21 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) 0.04 1.26 -14.13 1 7 0 78 311.411 5
Mid Mid (pH 6-8) 0.04 3.43 -58.3 2 7 1 80 312.419 5

Activity (Go SEA)

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