UCSF

ZINC06536302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 21 No

CAS Number: 41440-05-5

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) 2.20 -0.28 -22.67 4 6 0 111 286.239 1
Hi High (pH 8-9.5) 2.20 0.53 -56.31 3 6 -1 114 285.231 1

Activity (Go SEA)

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