UCSF

ZINC36804757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 1.36 4.66 -42.03 2 5 1 61 254.306 8
Hi High (pH 8-9.5) 1.36 3.27 -7.9 1 5 0 57 253.298 8

Activity (Go SEA)

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