UCSF

ZINC42443510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.70 3.99 -87.91 4 4 2 54 267.417 7
Hi High (pH 8-9.5) 1.70 5.23 -32.8 3 4 1 53 266.409 7
Mid Mid (pH 6-8) 1.70 3.92 -48 3 4 1 53 266.409 7

Activity (Go SEA)

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