UCSF

ZINC36616880

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 2.89 10.35 -17.45 1 7 0 78 408.893 4
Mid Mid (pH 6-8) 2.89 10.81 -39.26 2 7 1 79 409.901 4

Activity (Go SEA)

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