UCSF

ZINC37024704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.29 -1.21 -57.59 6 7 1 118 254.314 6
Hi High (pH 8-9.5) -1.29 -1.54 -22.97 5 7 0 116 253.306 6

Activity (Go SEA)

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