UCSF

ZINC61317007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 0.81 2.97 -39.38 2 5 1 53 266.365 4
Hi High (pH 8-9.5) 0.81 3.09 -7.22 1 5 0 49 265.357 4
Mid Mid (pH 6-8) 0.81 5.2 -95.36 3 5 2 54 267.373 4

Activity (Go SEA)

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