UCSF

ZINC37465849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.13 3.85 -69.88 2 6 0 91 397.316 6
Hi High (pH 8-9.5) 2.13 4.2 -84.17 1 6 -1 93 396.308 6

Activity (Go SEA)

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