UCSF

ZINC36992635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.93 7.6 -31.58 2 2 1 16 253.435 5
Mid Mid (pH 6-8) 2.93 6.37 -33.36 2 2 1 20 253.435 5
Lo Low (pH 4.5-6) 2.93 8.6 -95.68 3 2 2 21 254.443 5

Activity (Go SEA)

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