UCSF

ZINC36875274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.50 3.4 -95.5 4 3 2 35 213.369 1
Mid Mid (pH 6-8) 0.50 2.95 -119.43 4 3 2 35 213.369 1
Mid Mid (pH 6-8) 0.50 1.04 -40.7 3 3 1 34 212.361 1

Activity (Go SEA)

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