UCSF

ZINC36992636

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 7.58 -31.29 2 2 1 16 253.435 5
Mid Mid (pH 6-8) 2.93 6.32 -35.95 2 2 1 20 253.435 5
Lo Low (pH 4.5-6) 2.93 8.56 -98.49 3 2 2 21 254.443 5

Activity (Go SEA)

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