UCSF

ZINC36867687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -1.59 0.04 -51.21 4 7 1 97 212.233 2
Hi High (pH 8-9.5) -1.59 -0.29 -6.72 3 7 0 95 211.225 2

Activity (Go SEA)

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