UCSF

ZINC37492493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 33 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) 4.64 9.8 -45.84 1 8 -1 96 460.949 8
Lo Low (pH 4.5-6) 4.64 11.04 -14.88 2 8 0 97 461.957 8

Activity (Go SEA)

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