UCSF

ZINC36130380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) -0.70 0.64 -18.05 2 6 0 86 251.286 4
Mid Mid (pH 6-8) -0.25 -1.3 -56.9 1 6 -1 89 250.278 4

Activity (Go SEA)

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