UCSF

ZINC27518585

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 15 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) -0.30 2.97 -66.34 2 5 -1 93 204.161 1
Hi High (pH 8-9.5) 0.81 3.21 -110.43 1 5 -2 96 203.153 1
Hi High (pH 8-9.5) 1.00 0.68 -91.17 1 5 -2 96 203.153 1
Lo Low (pH 4.5-6) 1.00 1.1 -39.4 3 5 0 95 205.169 1

Activity (Go SEA)

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