UCSF

ZINC31978388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.11 6.04 -53.57 2 5 0 74 268.357 7
Hi High (pH 8-9.5) 1.11 3.73 -46.71 1 5 -1 72 267.349 7
Lo Low (pH 4.5-6) 1.11 4.92 -38.79 3 5 1 71 269.365 7

Activity (Go SEA)

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