UCSF

ZINC36128459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 13 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) 0.04 0.93 -104.53 5 3 2 52 188.315 4
Hi High (pH 8-9.5) 0.04 0.55 -30.4 4 3 1 51 187.307 4

Activity (Go SEA)

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