UCSF

ZINC34992024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 4.33 6.05 -5.64 1 2 0 21 391.025 6
Mid Mid (pH 6-8) 4.33 7.41 -53.89 2 2 1 26 392.033 6

Activity (Go SEA)

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