UCSF

ZINC36632487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 2.91 9.23 -40.81 2 4 1 37 302.442 4
Mid Mid (pH 6-8) 2.91 7.01 -8.79 1 4 0 36 301.434 4

Activity (Go SEA)

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