UCSF

ZINC37292734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.13 7.05 -38.58 2 3 1 29 287.427 3
Lo Low (pH 4.5-6) 3.13 9.31 -112.59 3 3 2 30 288.435 3

Activity (Go SEA)

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