UCSF

ZINC72776702

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2012 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) 1.03 4.26 -10.11 0 4 0 36 255.321 1
Mid Mid (pH 6-8) 1.03 6.62 -47.65 1 4 1 38 256.329 1

Activity (Go SEA)

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