UCSF

ZINC35048084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.84 6.72 -48.97 2 2 1 20 281.42 4
Hi High (pH 8-9.5) 1.84 5.9 -4.58 1 2 0 15 280.412 4
Mid Mid (pH 6-8) 1.84 9.08 -134.29 3 2 2 21 282.428 4
Mid Mid (pH 6-8) 1.84 8.26 -42.7 2 2 1 16 281.42 4

Activity (Go SEA)

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