UCSF

ZINC23283521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 22 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) 3.10 9.16 -98.81 3 3 2 24 305.51 7
Mid Mid (pH 6-8) 3.11 10.59 -78.91 3 3 2 21 305.51 7
Mid Mid (pH 6-8) 3.10 7.33 -35.61 2 3 1 23 304.502 7

Activity (Go SEA)

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