UCSF

ZINC70136287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 19 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) 4.85 8.97 -4.18 0 1 0 3 387.09 4
Mid Mid (pH 6-8) 4.85 11.29 -45.12 1 1 1 4 388.098 4

Activity (Go SEA)

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