UCSF

ZINC44240553

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 No

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) 1.51 3.17 -52.07 3 5 1 68 242.324 3
Hi High (pH 8-9.5) 1.14 -0.1 -43.41 1 5 -1 70 240.308 3
Hi High (pH 8-9.5) 2.44 0 -10.26 2 5 0 66 241.316 2
Mid Mid (pH 6-8) 1.14 1.64 -65.32 2 5 0 74 241.316 3

Activity (Go SEA)

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