UCSF

ZINC29479214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) -2.73 -5.16 -27.26 4 9 0 133 267.245 2
Hi High (pH 8-9.5) -2.73 -5.12 -59.76 3 9 -1 131 266.237 2
Lo Low (pH 4.5-6) -2.60 -3.11 -56.02 5 9 1 132 268.253 2

Activity (Go SEA)

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