UCSF

ZINC37143003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 26 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) 3.50 12.44 -54.04 1 4 1 49 389.306 3
Mid Mid (pH 6-8) 3.50 10.61 -11.89 0 4 0 47 388.298 3

Activity (Go SEA)

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