UCSF

ZINC53133328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 1.72 3.49 -51.27 3 5 1 79 267.312 4
Mid Mid (pH 6-8) 1.72 3.18 -8.73 2 5 0 78 266.304 4
Lo Low (pH 4.5-6) 1.72 3.96 -96.58 4 5 2 81 268.32 4

Activity (Go SEA)

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