UCSF

ZINC37849055

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) 2.13 4.24 -42.78 3 3 1 46 256.391 7
Mid Mid (pH 6-8) 2.13 2.81 -5.86 2 3 0 41 255.383 7

Activity (Go SEA)

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