UCSF

ZINC61318722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 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) 1.37 2.07 -47.35 3 5 1 58 312.459 6
Hi High (pH 8-9.5) 1.37 0.85 -7.04 2 5 0 54 311.451 6
Lo Low (pH 4.5-6) 1.37 4.42 -98.38 4 5 2 59 313.467 6

Activity (Go SEA)

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