UCSF

ZINC37823550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.08 4.22 -46.98 3 5 1 74 245.343 8
Mid Mid (pH 6-8) 1.08 3.91 -8.38 2 5 0 73 244.335 8

Activity (Go SEA)

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