UCSF

ZINC34683994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 4.63 8.91 -50.6 2 8 1 90 511.62 7
Hi High (pH 8-9.5) 4.63 9.81 -45.6 1 8 0 93 510.612 7

Activity (Go SEA)

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