UCSF

ZINC36617016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 3.14 11.36 -17.09 0 6 0 54 447.489 4
Mid Mid (pH 6-8) 3.14 13.57 -53.29 1 6 1 55 448.497 4

Activity (Go SEA)

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