UCSF

ZINC36569748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 26 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) 1.34 6.96 -20.26 2 7 0 104 375.381 4
Hi High (pH 8-9.5) 1.78 4.62 -105.53 0 7 -2 111 373.365 5
Hi High (pH 8-9.5) 2.64 6.59 -49.09 1 7 -1 107 374.373 4
Mid Mid (pH 6-8) 0.48 6.81 -59.92 1 7 -1 107 374.373 5

Activity (Go SEA)

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