UCSF

ZINC37760377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 16 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) 0.06 1.45 -11.62 2 5 0 74 222.244 4
Hi High (pH 8-9.5) 0.06 2.17 -40.8 2 5 0 78 222.244 4
Mid Mid (pH 6-8) 0.06 2.46 -53.27 1 5 -1 76 221.236 4
Lo Low (pH 4.5-6) 0.06 1.19 -42.17 3 5 1 75 223.252 4

Activity (Go SEA)

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