UCSF

ZINC42603335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) -0.21 1.03 -40.93 3 5 1 62 268.381 9
Hi High (pH 8-9.5) -0.21 -0.13 -3.35 2 5 0 61 267.373 9
Lo Low (pH 4.5-6) -0.21 3.81 -121.49 4 5 2 63 269.389 9

Activity (Go SEA)

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