UCSF

ZINC38808993

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 20 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) 2.13 6.38 -131.24 4 4 2 51 282.428 9
Mid Mid (pH 6-8) 2.13 3.63 -49.97 3 4 1 49 281.42 9
Mid Mid (pH 6-8) 2.13 5.57 -35.43 3 4 1 49 281.42 9

Activity (Go SEA)

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