UCSF

ZINC52510579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 15 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) 1.74 4.13 -30.25 2 3 1 29 215.361 7
Hi High (pH 8-9.5) 1.74 2.33 -1.43 1 3 0 24 214.353 7
Mid Mid (pH 6-8) 1.74 6.01 -107.52 3 3 2 30 216.369 7
Mid Mid (pH 6-8) 1.74 5.59 -25.25 2 3 1 26 215.361 7

Activity (Go SEA)

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