UCSF

ZINC36982149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.68 6.75 -29.64 2 4 1 42 255.345 4
Hi High (pH 8-9.5) 1.68 6.3 -7.58 1 4 0 41 254.337 4
Lo Low (pH 4.5-6) 1.68 7.21 -75.81 3 4 2 44 256.353 4

Activity (Go SEA)

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