UCSF

ZINC36783266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.99 5.47 -24.57 3 3 1 43 192.286 3
Mid Mid (pH 6-8) 1.99 5.05 -4.91 2 3 0 42 191.278 3

Activity (Go SEA)

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