UCSF

ZINC38137777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 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) 1.19 6.33 -46.15 3 2 1 31 255.385 5
Hi High (pH 8-9.5) 1.19 6.04 -2.64 2 2 0 29 254.377 5
Lo Low (pH 4.5-6) 1.19 8.38 -118.64 4 2 2 32 256.393 5

Activity (Go SEA)

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