UCSF

ZINC37266960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.53 8.31 -78.72 3 3 2 21 269.477 5
Mid Mid (pH 6-8) 2.53 6.99 -96.73 3 3 2 24 269.477 5
Lo Low (pH 4.5-6) 2.53 9.38 -172.84 4 3 3 25 270.485 5

Activity (Go SEA)

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