UCSF

ZINC70514125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.88 2.68 -36.24 4 4 1 60 281.42 9
Hi High (pH 8-9.5) 1.88 2.64 -3.55 3 4 0 59 280.412 9
Mid Mid (pH 6-8) 1.88 4.06 -114.51 5 4 2 62 282.428 9
Mid Mid (pH 6-8) 1.88 4.06 -30.3 4 4 1 60 281.42 9

Activity (Go SEA)

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