UCSF

ZINC37249277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.62 6.53 -39.32 2 3 1 26 267.368 4
Lo Low (pH 4.5-6) 2.62 7.48 -113.53 3 3 2 30 268.376 4

Activity (Go SEA)

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